5LAR
Crystal structure of p38 alpha MAPK14 in complex with VPC00628
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.019, 70.580, 75.029 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.700 - 1.500 |
| R-factor | 0.17086 |
| Rwork | 0.169 |
| R-free | 0.20504 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4loo |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.551 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.700 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.102 | 0.428 |
| Number of reflections | 58904 | |
| <I/σ(I)> | 9.7 | 3.1 |
| Completeness [%] | 99.3 | 96.6 |
| Redundancy | 5.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 15% medium-molecular weight PEG Smears (MMW PEG smears), 0.1 M MES, pH 6.5 |
